sodium 1-methoxy-4-[(2Z)-2-[(2E)-2-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)ethylidene]-3a,4-dihydro-3H-1,3-benzoxazol-6-yl]butane-2-sulfonate

Systemtic Name: sodium 1-methoxy-4-[(2Z)-2-[(2E)-2-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)ethylidene]-3a,4-dihydro-3H-1,3-benzoxazol-6-yl]butane-2-sulfonate Openeye Name: sodium 1-methoxy-4-[(2Z)-2-[(2E)-2-(5-oxo-2-thioxo-imidazolidin-4-ylidene)ethylidene]-3a,4-dihydro-3H-1,3-benzoxazol-6-yl]butane-2-sulfonate CAS Name: sodium 1-methoxy-4-[(2Z)-2-[(2E)-2-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)ethylidene]-3a,4-dihydro-3H-1,3-benzoxazol-6-yl]-2-butanesulfonate IUPAC Name: sodium 1-methoxy-4-[(2Z)-2-[(2E)-2-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)ethylidene]-3a,4-dihydro-3H-1,3-benzoxazol-6-yl]butane-2-sulfonate Traditional Name: sodium 4-[(2Z)-2-[(2E)-2-(5-keto-2-thioxo-imidazolidin-4-ylidene)ethylidene]-3a,4-dihydro-3H-1,3-benzoxazol-6-yl]-1-methoxy-butane-2-sulfonate Formula: C17H20N3NaO6S2 MolecularWeight: 449.47697

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CCC1=CCC2C(=C1)OC(=CC=C3C(=O)NC(=S)N3)N2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COCC(CCC1=CCC2C(=C1)O/C(=C\C=C\3/C(=O)NC(=S)N3)/N2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H21N3O6S2.Na/c1-25-9-11(28(22,23)24)4-2-10-3-5-12-14(8-10)26-15(18-12)7-6-13-16(21)20-17(27)19-13;/h3,6-8,11-12,18H,2,4-5,9H2,1H3,(H,22,23,24)(H2,19,20,21,27);/q;+1/p-1/b13-6+,15-7-;